AD05906
67706-69-8 | Ethyl 4-(benzyloxycarbonylamino)-3-oxobutanoate
Manufacturer: A2B Chem
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CatalogNumber
AD05906
ChemicalName
Ethyl 4-(benzyloxycarbonylamino)-3-oxobutanoate
CasNumber
67706-69-8
MolecularFormula
C14H17NO5
MolecularWeight
279.2885
MdlNumber
MFCD08703136
Smiles
CCOC(=O)CC(=O)CNC(=O)OCc1ccccc1
Complexity
337
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
9
Xlogp3
1.6
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CatalogNumber: AD05906
ChemicalName: Ethyl 4-(benzyloxycarbonylamino)-3-oxobutanoate
CasNumber: 67706-69-8
MolecularFormula: C14H17NO5
MolecularWeight: 279.2885
MdlNumber: MFCD08703136
Smiles: CCOC(=O)CC(=O)CNC(=O)OCc1ccccc1
Complexity: 337
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 9
Xlogp3: 1.6
CatalogNumber:
AD05906
ChemicalName:
Ethyl 4-(benzyloxycarbonylamino)-3-oxobutanoate
CasNumber:
67706-69-8
MolecularFormula:
C14H17NO5
MolecularWeight:
279.2885
MdlNumber:
MFCD08703136
Smiles:
CCOC(=O)CC(=O)CNC(=O)OCc1ccccc1
Complexity:
337
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
9
Xlogp3:
1.6
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Smiles: COC(=O)CCCNC(=O)OCc1ccccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COC(=O)CCCNC(=O)OCc1ccccc1
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RotatableBondCount:
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Smiles: CCNc1nc(nc(n1)NCC)N(C#N)CC=C
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Smiles:
CCNc1nc(nc(n1)NCC)N(C#N)CC=C
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCc1sc(=[N+](C)C)sc1[S-]
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HydrogenBondAcceptorCount: __
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Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
__
Smiles:
CCc1sc(=[N+](C)C)sc1[S-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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